@MOLECULE 1-[1-(3-ethoxyphenyl)propyl]-7-(5-pyrimidinylmethoxy)-4,5-dihydro-1h-benzo[g]indazole-3-carboxylic acid 64 68 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.7661 0.3635 -0.4441 O.3 1 UNL1111111111 -0.3391 2 O -6.0289 2.5397 -0.3357 O.3 1 UNL1111111111 -0.5134 3 O -1.4745 -2.7067 2.6226 O.3 1 UNL1111111111 -0.3400 4 O -4.7047 3.7014 1.0261 O.2 1 UNL1111111111 -0.5233 5 N -2.7730 0.2860 -1.2931 N.ar 1 UNL1111111111 -0.0981 6 N -3.9794 0.8163 -1.0279 N.ar 1 UNL1111111111 -0.1820 7 N 7.6351 0.5026 -1.4432 N.ar 1 UNL1111111111 -0.4241 8 N 8.1809 -0.0106 0.8292 N.ar 1 UNL1111111111 -0.4220 9 C -1.7541 1.0273 -0.6975 C.ar 1 UNL1111111111 0.0172 10 C -2.3774 2.0908 -0.0206 C.ar 1 UNL1111111111 -0.0572 11 C -2.6676 -1.0611 -1.8952 C.3 1 UNL1111111111 0.0736 12 C -1.6061 3.0461 0.7905 C.3 1 UNL1111111111 -0.2452 13 C -0.3933 2.3100 1.3983 C.3 1 UNL1111111111 -0.2797 14 C -0.3231 0.8420 -0.6651 C.ar 1 UNL1111111111 -0.1030 15 C 0.3559 1.4857 0.3888 C.ar 1 UNL1111111111 0.1047 16 C -3.7675 1.9351 -0.2690 C.ar 1 UNL1111111111 -0.1083 17 C -4.0588 -1.6644 -2.1867 C.3 1 UNL1111111111 -0.2578 18 C -1.8938 -1.9616 -0.9510 C.ar 1 UNL1111111111 0.0288 19 C 0.3949 0.1152 -1.6189 C.ar 1 UNL1111111111 -0.0694 20 C 1.7367 1.3398 0.5171 C.ar 1 UNL1111111111 -0.3284 21 C -3.9237 -2.9514 -2.9916 C.3 1 UNL1111111111 -0.4433 22 C 2.4236 0.5830 -0.4307 C.ar 1 UNL1111111111 0.2775 23 C 1.7698 -0.0267 -1.5115 C.ar 1 UNL1111111111 -0.2514 24 C -2.1524 -1.9145 0.4192 C.ar 1 UNL1111111111 -0.3100 25 C -0.9167 -2.8113 -1.4619 C.ar 1 UNL1111111111 -0.2434 26 C -4.8213 2.8103 0.2183 C.2 1 UNL1111111111 0.6694 27 C -1.3702 -2.6896 1.2730 C.ar 1 UNL1111111111 0.2674 28 C -0.1631 -3.6043 -0.5907 C.ar 1 UNL1111111111 -0.0642 29 C -0.3717 -3.5465 0.7783 C.ar 1 UNL1111111111 -0.2493 30 C 4.5318 0.9082 0.6361 C.3 1 UNL1111111111 -0.0336 31 C -2.3892 -1.7773 3.2213 C.3 1 UNL1111111111 -0.0198 32 C 5.9438 0.6271 0.2525 C.ar 1 UNL1111111111 -0.2085 33 C -2.1657 -1.9776 4.7129 C.3 1 UNL1111111111 -0.4550 34 C 6.3624 0.7479 -1.0838 C.ar 1 UNL1111111111 0.1216 35 C 6.9062 0.2290 1.1905 C.ar 1 UNL1111111111 0.0929 36 C 8.5061 0.1331 -0.4758 C.ar 1 UNL1111111111 0.2216 37 H -2.1146 -0.9306 -2.8683 H 1 UNL1111111111 0.1596 38 H -2.2323 3.4983 1.5913 H 1 UNL1111111111 0.1768 39 H -1.2659 3.9013 0.1662 H 1 UNL1111111111 0.1622 40 H 0.2741 3.0481 1.8846 H 1 UNL1111111111 0.1535 41 H -0.7426 1.6363 2.2127 H 1 UNL1111111111 0.1621 42 H -4.6843 -0.9274 -2.7344 H 1 UNL1111111111 0.1707 43 H -4.6003 -1.8496 -1.2368 H 1 UNL1111111111 0.1639 44 H -0.1258 -0.3429 -2.4594 H 1 UNL1111111111 0.1528 45 H 2.2515 1.8160 1.3436 H 1 UNL1111111111 0.1664 46 H -3.4451 -2.7816 -3.9620 H 1 UNL1111111111 0.1422 47 H -4.9085 -3.3934 -3.1880 H 1 UNL1111111111 0.1493 48 H -3.3341 -3.7061 -2.4543 H 1 UNL1111111111 0.1545 49 H 2.3401 -0.5987 -2.2385 H 1 UNL1111111111 0.1772 50 H -2.9394 -1.2698 0.8002 H 1 UNL1111111111 0.1766 51 H -0.7281 -2.8617 -2.5304 H 1 UNL1111111111 0.1561 52 H 0.6050 -4.2647 -0.9941 H 1 UNL1111111111 0.1515 53 H 0.2188 -4.1391 1.4714 H 1 UNL1111111111 0.1721 54 H -6.7425 3.1423 -0.0029 H 1 UNL1111111111 0.3453 55 H 4.3443 1.9991 0.7161 H 1 UNL1111111111 0.1476 56 H 4.2275 0.4046 1.5744 H 1 UNL1111111111 0.1472 57 H -3.4166 -2.0378 2.9111 H 1 UNL1111111111 0.1301 58 H -2.1388 -0.7527 2.8934 H 1 UNL1111111111 0.1296 59 H -2.8432 -1.3489 5.3013 H 1 UNL1111111111 0.1546 60 H -1.1349 -1.7313 4.9994 H 1 UNL1111111111 0.1581 61 H -2.3352 -3.0233 5.0032 H 1 UNL1111111111 0.1599 62 H 5.6702 1.0402 -1.8868 H 1 UNL1111111111 0.1948 63 H 6.6730 0.0963 2.2545 H 1 UNL1111111111 0.1805 64 H 9.5488 -0.0648 -0.7705 H 1 UNL1111111111 0.1997 @BOND 1 1 22 1 2 1 30 1 3 2 26 1 4 2 54 1 5 3 27 1 6 3 31 1 7 4 26 2 8 5 6 ar 9 5 9 ar 10 5 11 1 11 6 16 ar 12 7 34 ar 13 7 36 ar 14 8 35 ar 15 8 36 ar 16 9 10 ar 17 9 14 1 18 10 12 1 19 10 16 ar 20 11 17 1 21 11 18 1 22 11 37 1 23 12 13 1 24 12 38 1 25 12 39 1 26 13 15 1 27 13 40 1 28 13 41 1 29 14 15 ar 30 14 19 ar 31 15 20 ar 32 16 26 1 33 17 21 1 34 17 42 1 35 17 43 1 36 18 24 ar 37 18 25 ar 38 19 23 ar 39 19 44 1 40 20 22 ar 41 20 45 1 42 21 46 1 43 21 47 1 44 21 48 1 45 22 23 ar 46 23 49 1 47 24 27 ar 48 24 50 1 49 25 28 ar 50 25 51 1 51 27 29 ar 52 28 29 ar 53 28 52 1 54 29 53 1 55 30 32 1 56 30 55 1 57 30 56 1 58 31 33 1 59 31 57 1 60 31 58 1 61 32 34 ar 62 32 35 ar 63 33 59 1 64 33 60 1 65 33 61 1 66 34 62 1 67 35 63 1 68 36 64 1